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By an idealized quantum mechanical model, we formally describe the dispersion of nonretarded electromagnetic waves that express charge density oscillations near a fixed plane in three spatial dimensions (3D) at zero temperature. Our goal is…

Mathematical Physics · Physics 2026-04-16 Dionisios Margetis

An accurate description of the optical response of subwavelength metallic particles and nanogap structures is a key problem of plasmonics. Quantum hydrodynamic theory (QHT) has emerged as a powerful method to calculate the optical response…

Mesoscale and Nanoscale Physics · Physics 2021-03-17 Henrikh M. Baghramyan , Fabio Della Sala , Cristian Ciracì

The ultraconfined light of plasmonic modes put their effective wavelength close to the mean free path of electrons inside the metal electron gas. The Drude model, which can not take the repulsive interactions of electrons into account, then…

Optics · Physics 2021-06-23 Emilie Sakat , Antoine Moreau , Jean-Paul Hugonin

We develop a quantum theory of plasmon polaritons in chains of metallic nanoparticles, describing both near- and far-field interparticle distances, by including plasmon-photon Umklapp processes. Taking into account the retardation effects…

Optics · Physics 2021-09-27 Thomas F. Allard , Guillaume Weick

A fundamental assumption of the dynamical density functional theory (DDFT) of colloidal systems is that a grand-canonical free energy functional may be employed to generate the thermodynamic driving forces. Using one-dimensional hard-rods…

Soft Condensed Matter · Physics 2013-06-04 Johannes Reinhardt , Joseph Michael Brader

Plasmons are fundamental excitations of metals which can be described in terms of electron dynamics, or in terms of the electromagnetic fields associated with them. In this work we develop a quantum description of plasmons in a double layer…

Mesoscale and Nanoscale Physics · Physics 2023-08-31 Luis Brey , H. A. Fertig

Historically, the field of plasmonics has been relying on the framework of classical electrodynamics, with the local-response approximation of material response being applied even when dealing with nanoscale metallic structures. However,…

Although atomic diffusion on metal surfaces under high electric fields has been studied theoretically and experimentally since the 1970s, its accurate and quantitative theoretical description remains a significant challenge. In our previous…

Materials Science · Physics 2022-01-11 Ekaterina Baibuz , Andreas Kyritsakis , Ville Jansson , Flyura Djurabekova

Coulomb interactions play an essential role in atomically-thin materials. On one hand, they are strong and long-ranged in layered systems due to the lack of environmental screening. On the other hand, they can be efficiently tuned by means…

Mesoscale and Nanoscale Physics · Physics 2021-06-04 Zhihao Jiang , Stephan Haas , Malte Rösner

This study investigates the influence of quantum effects on Coulomb explosion dynamics using time-dependent density functional theory (TDDFT) simulations, comparing classical, semi-classical, and quantum approaches. The goal is to elucidate…

Chemical Physics · Physics 2024-12-10 Samuel S. Taylor , Cody Covington , Kálmán Varga

One of the most promising techniques used for studying the electronic properties of materials is based on Density Functional Theory (DFT) approach and its extensions. DFT has been widely applied in traditional solid state physics problems…

Materials Science · Physics 2013-06-03 Nicola Varini , Davide Ceresoli , Layla Martin-Samos , Ivan Girotto , Carlo Cavazzoni

The quantum thermodynamical properties of (quasi-normal) overdamped electromagnetic modes (eddy currents) are investigated in the context of the magnetic Casimir-Polder interaction. The role of the material response in terms of spatially…

Quantum Physics · Physics 2020-01-15 Daniel Reiche , Kurt Busch , Francesco Intravaia

Spatial interaction effects between charge carriers in ionic systems play a sizable role beyond a classical Maxwellian description. We develop a nonlocal, two-fluid, hydrodynamic theory of charges and study ionic plasmon effects, i. e.…

Optics · Physics 2020-06-30 Christin David

A general polarizable embedded (PE) quantum mechanics/molecular mechanics scheme for periodic systems is presented, describing mutual polarization of the two subsystems. The QM system, described with density functional theory (DFT), is…

Superfluidity is a generic feature of various quantum systems at low temperatures and it is in particular important for the description of dynamics of low energy nuclear reactions. The time-dependent density functional theory (TDDFT) is, to…

Nuclear Theory · Physics 2020-07-15 M. C. Barton , S. Jin , P. Magierski , K. Sekizawa , G. Wlazłowski , A. Bulgac

Given a partition of a large system into an active quantum mechanical (QM) region and its environment, we present a simple way of embedding the QM region into an effective electrostatic potential representing the environment. This potential…

Chemical Physics · Physics 2017-07-20 Stephan Mohr , Michel Masella , Laura E. Ratcliff , Luigi Genovese

We present the basic concepts and our recent developments in the density functional approaches with the Skyrme functionals for describing nuclear dynamics at low energy. The time-dependent density-functional theory (TDDFT) is utilized for…

Nuclear Theory · Physics 2013-10-16 Takashi Nakatsukasa

We prove that the theorems of TDDFT can be applied to a class of qubit Hamiltonians that are universal for quantum computation. The theorems of TDDFT applied to universal Hamiltonians imply that single-qubit expectation values can be used…

Quantum Physics · Physics 2011-08-20 David G. Tempel , Alan Aspuru-Guzik

In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…

We develop a general perturbation theory to treat small parameter changes in dispersive plasmonic nanostructures and metamaterials. We specifically apply it to dielectric refractive index, and metallic plasma frequency modulation in metal-…

Optics · Physics 2011-06-14 Aaswath Raman , Shanhui Fan
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